N-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine

C14H28N2 — CID 103070074

IUPACN-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine
SMILESC=C(CNCC)CN(CCC(C)C)C1CC1
InChIInChI=1S/C14H28N2/c1-5-15-10-13(4)11-16(14-6-7-14)9-8-12(2)3/h12,14-15H,4-11H2,1-3H3
InChIKeyHMMVCVRQGRSXOP-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds9

About N-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine

N-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine (PubChem CID 103070074) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine
PubChem CID103070074
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine
SMILESC=C(CNCC)CN(CCC(C)C)C1CC1
InChIInChI=1S/C14H28N2/c1-5-15-10-13(4)11-16(14-6-7-14)9-8-12(2)3/h12,14-15H,4-11H2,1-3H3
InChIKeyHMMVCVRQGRSXOP-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N'-ethyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine
CID 103070025
N-cyclopropyl-N,N'-diethyl-2-methylidenepropane-1,3-diamine
CID 103069258
N'-cyclopropyl-N'-(3-methylbutyl)-2-methylidenepropane-1,3-diamine
CID 103070075
2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
CID 103070001
N-[2-(chloromethyl)prop-2-enyl]-N-(3-methylbutyl)cyclopentanamine
CID 103067923
2-[[cyclopentyl(3-methylbutyl)amino]methyl]prop-2-ene-1-thiol
CID 103073511
N-cyclopropyl-N'-methyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine
CID 103070023
N-butyl-N-cyclopropyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103069805
N-cyclopropyl-N'-ethyl-2-methyl-N-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 78944177
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 78974200
N-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine
CID 103069808

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine (CID 103070074) is N-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine is C=C(CNCC)CN(CCC(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine?
The InChIKey is HMMVCVRQGRSXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-15-10-13(4)11-16(14-6-7-14)9-8-12(2)3/h12,14-15H,4-11H2,1-3H3.
What are the key properties of N-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine?
N-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine is sourced from PubChem (CID 103070074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).